| CAS Number | 1849330-33-1 |
| Catalog Number | AG01AGZS |
| Chemical Name | methyl 2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate |
| IUPAC Name | methyl 2,6-dioxo-5H-pyrimidine-4-carboxylate |
| InChI | InChI=1S/C6H6N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h2H2,1H3,(H,8,9,11) |
| InChI Key | VMXCHXUGEQHMFP-UHFFFAOYSA-N |
| MDL Number | MFCD30497433 |
| Molecular Formula | C6H6N2O4 |
| Molecular Weight | 170.1228 |
| SMILES | COC(C1CC(=O)NC(=O)N=1)=O |
| Synonyms | methyl 2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate,
1849330-33-1,
ZINC95862898,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.124g/mol |
| Monoisotopic Mass | 170.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number